3-(1, 3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid methyl ester | 781632-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3-(1, 3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid methyl ester
• 英文别名: 3-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid methyl ester；3-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)benzoic acid methyl ester；Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoate；methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
• CAS: 781632-38-0
• 化学式: C₁₇H₁₃NO₄
• 分子量: 295.295
• InChiKey: QQYVUYGZCDBGGW-UHFFFAOYSA-N

物化性质

• 沸点：
  466.8±38.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2925190090

反应信息

• 作为反应物：
  描述：

  3-(1, 3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid methyl ester 在 水 、 碳酸氢钠 、 一水合肼 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 9.17h， 生成 3-(N-Boc-氨甲基)苯甲酸
  参考文献：
  名称：

  HISTONE DEACETYLASE INHIBITORS

  摘要：

  该披露提供了I式化合物及其制备方法。这些化合物作为组蛋白去乙酰化酶的抑制剂。

  公开号：

  US20120101099A1
• 作为产物：
  描述：

  间甲基苯甲酸 在 偶氮二异丁腈 N-溴代丁二酰亚胺(NBS) 、 氯化亚砜 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 3-(1, 3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid methyl ester
  参考文献：
  名称：

  HISTONE DEACETYLASE INHIBITORS

  摘要：

  该披露提供了I式化合物及其制备方法。这些化合物作为组蛋白去乙酰化酶的抑制剂。

  公开号：

  US20120101099A1

文献信息

• Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers
  作者：Rui Cao、Peter Müller、Stephen J. Lippard

  DOI：10.1021/ja108212v

  日期：2010.12.15

  phosphate-metabolizing trimetallic centers in biology were prepared. Four such compounds, [(Cu(II)Cl)3(HPO4)L1](PF6) (1), [(Cu(II)Cl)3(HAsO4)L1](PF6) (2), Na2[Mn(III)6Mn(II)2(H2O)2(HPO4)6(PO4)4(L1)2] (3), and [Co(II)3(H2PO4)Cl2(MeCN)L2](PF6)3 (4), all containing three metal centers bound to a central phosphate or arsenate unit bridging oxygen atoms, have been synthesized and structurally characterized. These

  多齿三足配体 N(CH2-m-C6H4-CH2tacn)3 (L1) 和 N(CH2-o-C6H4-CH2N(CH2py)2)3 (L2) 已被设计用于组装高核金属簇。通过使用具有不同配体附件（三氮杂环壬烷或二吡啶胺）的相同三足平台，并功能化三（二甲苯基）连接臂上的邻位或间位，制备了与生物学中磷酸盐代谢三金属中心相关的离散三金属磷酸盐单元. 四种这样的化合物，[(Cu(II)Cl)3(HPO4)L1](PF6) (1), [(Cu(II)Cl)3(HAsO4)L1](PF6) (2), Na2[Mn( III)6Mn(II)2(H2O)2(HPO4)6(PO4)4(L1)2] (3) 和 [Co(II)3(H2PO4)Cl2(MeCN)L2](PF6)3 (4) )，所有金属中心都包含与桥接氧原子的中心磷酸盐或砷酸盐单元结合的三个金属中心，已被合成并在结构上进行了表征。这些结果证明了这种新
• [EN] HISTONE DEACETYLASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HISTONE DÉSACÉTYLASE
  申请人：PORTSMOUTH TECHNOLOGIES LLC

  公开号：WO2011021209A1

  公开（公告）日：2011-02-24

  The disclosure provides compounds of formula I and methods for preparation thereof. The compounds act as inhibitor of histone deacetylase.

  该披露提供了I式化合物及其制备方法。这些化合物作为组蛋白去乙酰化酶的抑制剂。
• The development of a novel transforming growth factor-β (TGF-β) inhibitor that disrupts ligand-receptor interactions
  作者：Han Wu、Yu Sun、Wee Lin Wong、Jiajia Cui、Jingyang Li、Xuefu You、Lee Fah Yap、Yu Huang、Wei Hong、Xinyi Yang、Ian C. Paterson、Hao Wang

  DOI：10.1016/j.ejmech.2020.112042

  日期：2020.3

  Transforming growth factor-beta (TGF-beta) plays an important role in regulating epithelial to mesenchymal transition (EMT) and the TGF-beta signaling pathway is a potential target for therapeutic intervention in the development of many diseases, such as fibrosis and cancer. Most currently available inhibitors of TGF-beta signaling function as TGF-beta receptor I (T beta R-I) kinase inhibitors, however, such kinase inhibitors often lack specificity. In the present study, we targeted the extracellular protein binding domain of the TGF-beta receptor II (T beta R-II) to interfere with the protein-protein interactions (PPIs) between TGF-beta and its receptors. One compound, CJJ300, inhibited TGF-beta signaling by disrupting the formation of the TGF-beta-T beta R-I-T beta R-II signaling complex. Treatment of A549 cells with CJJ300 resulted in the inhibition of downstream signaling events such as the phosphorylation of key factors along the TGF-beta pathway and the induction of EMT markers. Concomitant with these effects, CJJ300 significantly inhibited cell migration. The present study describes for the first time a designed molecule that can regulate TGF-beta-induced signaling and EMT by interfering with the PPIs required for the formation of the TGF-beta signaling complex. Therefore, CJJ300 can be an important lead compound with which to study TGF-beta signaling and to design more potent TGF-beta signaling antagonists. (C) 2020 Elsevier Masson SAS. All rights reserved.
• HISTONE DEACETYLASE INHIBITORS
  申请人：Selvakumar Natesan

  公开号：US20120101099A1

  公开（公告）日：2012-04-26

  The disclosure provides compounds of formula I and methods for preparation thereof. The compounds act as inhibitor of histone deacetylase.

  该披露提供了I式化合物及其制备方法。这些化合物作为组蛋白去乙酰化酶的抑制剂。